Cobalt-based catalyst for ammonia synthesis under ambient conditions via transient confinement.

Keran Lv, Mengqian Xu, Li Yang, Chenghu Wei, Jikai Sun, Xu Fang, Tie Yu, Zhenyu Li, Weiqiao Deng

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Article in Nature communications, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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9 authors.

Keran Lv *Institute of Frontier Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, China.

Mengqian Xu *Institute of Frontier Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, China.

Li YangInstitute of Frontier Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, China.

Chenghu WeiInstitute of Frontier Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, China.

Jikai SunInstitute of Frontier Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, China.

Xu FangInstitute of Frontier Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, China.

Tie YuInstitute of Frontier Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, China. yutie@sdu.edu.cn.ORCID http://orcid.org/0000-0003-4895-3639

Zhenyu LiKey Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, China.ORCID http://orcid.org/0000-0003-2112-9834

Weiqiao DengInstitute of Frontier Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, China. dengwq@sdu.edu.cn.ORCID http://orcid.org/0000-0002-3671-5951

Funding

Dalian Institute of Chemical Physics (Dalian Institute of Chemical Physics of Chinese Academy of Sciences) N-22-16Ministry of Science and Technology of the People's Republic of China (Chinese Ministry of Science and Technology) 2022YFA1503104Natural Science Foundation of Shandong Province (Shandong Provincial Natural Science Foundation) No.tspd20230601Shandong University (SDU) 62460082064083

6 · The paper itself

Abstract

The Haber-Bosch process is used for industrial ammonia production worldwide, and it accounts for ~2% of the global energy consumption and 1.3% anthropogenic carbon footprint. Ammonia synthesis under ambient conditions with minimum carbon emission is highly desired, but it is still in the initial stage. Herein, we report a cobalt-based catalyst for ammonia continuous synthesis under ambient conditions via mechanochemistry. To describe mechanochemistry of ammonia synthesis, density functional theory (DFT) calculation was carried out and a transient confinement was discovered. 5 dual side models with Fe, Co, Ni, Cu, Ag have been set up and the Co dual side model exhibits the highest transient confinement effect with the maximum energy barrier reducing from 1.3 eV to 0.62 eV. The experiment confirmed cobalt powders in mechanochemical synthesis of ammonia showed the highest catalytic activity. By using the Co catalyst, up to 13.7 μmol·g

Identifiers

PMID40849436

DOI10.1038/s41467-025-63145-3

PMCPMC12375077

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.